Geometry & MOs

Info

ID:	203211
PubChem CID:	79792600
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	300.144948
ΔH_f, kcal/mol:	-122.78
Dipole, Da:	7.88
IP(EA), eV:	-10.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-cyclopropyl-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations